Information card for entry 2235722

Structure parameters

• Chemical name: 1,1'-Bis[bis(4-methoxyphenyl)phosphanyl]ferrocene
• Formula: C38 H36 Fe O4 P2
• Calculated formula: C38 H36 Fe O4 P2
• SMILES: c1(P(c2ccc(OC)cc2)[c]23[cH]4[Fe]56789%102([cH]([cH]49)[cH]35)[cH]2[cH]%10[cH]8[c]7(P(c3ccc(cc3)OC)c3ccc(OC)cc3)[cH]62)ccc(cc1)OC
• Title of publication: 1,1'-Bis[bis(4-methoxyphenyl)phosphanyl]ferrocene
• Authors of publication: Ren, Xinfeng; Wang, Le; Li, Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m922
• a: 19.079 ± 0.0008 Å
• b: 9.9445 ± 0.0004 Å
• c: 17.5663 ± 0.0008 Å
• α: 90°
• β: 102.386 ± 0.001°
• γ: 90°
• Cell volume: 3255.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes